1H-imidazole-1,3-diium-4-ylmethyl pyridine-4-carboxylate dichloride

Systemtic Name: 1H-imidazole-1,3-diium-4-ylmethyl pyridine-4-carboxylate dichloride Openeye Name: 1H-imidazole-1,3-diium-4-ylmethyl pyridine-4-carboxylate dichloride CAS Name: 4-pyridinecarboxylic acid 1H-imidazole-1,3-diium-4-ylmethyl ester dichloride IUPAC Name: 1H-imidazole-1,3-diium-4-ylmethyl pyridine-4-carboxylate dichloride Traditional Name: isonicotinic acid 1H-imidazole-1,3-diium-4-ylmethyl ester dichloride Formula: C10H11Cl2N3O2 MolecularWeight: 276.11924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(=O)OCC2=C[NH2+]C=[NH+]2.[Cl-].[Cl-]

Isomeric SMILES

C1=CN=CC=C1C(=O)OCC2=C[NH2+]C=[NH+]2.[Cl-].[Cl-]

InChI

InChI=1S/C10H9N3O2.2ClH/c14-10(8-1-3-11-4-2-8)15-6-9-5-12-7-13-9;;/h1-5,7H,6H2,(H,12,13);2*1H